2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol

C10H7Cl2N3O2 — CID 5052833

IUPAC2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESCc1nonc1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H7Cl2N3O2/c1-5-10(15-17-14-5)13-4-6-2-7(11)3-8(12)9(6)16/h2-4,16H,1H3/b13-4+
InChIKeyARHDUPPEOUUGMA-YIXHJXPBSA-N
MW272.09 g/mol
LogP3.14
Rot. Bonds2

About 2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol

2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (PubChem CID 5052833) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
PubChem CID5052833
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol
SMILESCc1nonc1/N=C/c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C10H7Cl2N3O2/c1-5-10(15-17-14-5)13-4-6-2-7(11)3-8(12)9(6)16/h2-4,16H,1H3/b13-4+
InChIKeyARHDUPPEOUUGMA-YIXHJXPBSA-N
XLogP3.14
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 135851325
CID 135851325
CID 1833775
CID 1833775
CID 3112400
CID 3112400
CID 3533146
CID 3533146
CID 3533148
CID 3533148
CID 3544924
CID 3544924
CID 4986282
CID 4986282
CID 5052832
CID 5052832
CID 135531715
CID 135531715
CID 135647004
CID 135647004
CID 135688105
CID 135688105
CID 135772639
CID 135772639

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The IUPAC name of 2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol (CID 5052833) is 2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is Cc1nonc1/N=C/c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
The InChIKey is ARHDUPPEOUUGMA-YIXHJXPBSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c1-5-10(15-17-14-5)13-4-6-2-7(11)3-8(12)9(6)16/h2-4,16H,1H3/b13-4+.
What are the key properties of 2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol?
2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol has a molecular weight of 272.09 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(4-methyl-1,2,5-oxadiazol-3-yl)iminomethyl]phenol is sourced from PubChem (CID 5052833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).